Glycoside
GD022743
Name:
NoneFormula:
C15H26O3N8Smiles:
CNCCCNC[C@@H]1O[C@H](n2c(NC)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC1=Nc2c(N)ncnc2[N]1.CNCCCNCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 366.43 | Num_heavy_atoms: | 26 |
| TPSA: | 155.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD03690
Formula: C6H7N6
Smiles:
CNC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
AD07713
Formula: C5H14N2
Smiles:
CNCCCNC| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 24.06 | NumAromaticRings: | 0 |
